methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate

C23H17N3O5 — CID 135631486

IUPACmethyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1
InChIInChI=1S/C23H17N3O5/c1-30-23(29)15-5-4-6-16(11-15)25-22-18(21(28)26-20-7-2-3-10-24-20)12-14-8-9-17(27)13-19(14)31-22/h2-13,27H,1H3,(H,24,26,28)/b25-22-
InChIKeyQQTGBWKJNPSJKR-LVWGJNHUSA-N
MW415.41 g/mol
LogP3.80
Rot. Bonds4

About methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate

methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate (PubChem CID 135631486) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
PubChem CID135631486
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Namemethyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1
InChIInChI=1S/C23H17N3O5/c1-30-23(29)15-5-4-6-16(11-15)25-22-18(21(28)26-20-7-2-3-10-24-20)12-14-8-9-17(27)13-19(14)31-22/h2-13,27H,1H3,(H,24,26,28)/b25-22-
InChIKeyQQTGBWKJNPSJKR-LVWGJNHUSA-N
XLogP3.80
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507
methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51367720
methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
CID 135631698
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
CID 135631517
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The IUPAC name of methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate (CID 135631486) is methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate.
What is the SMILES notation for methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The canonical SMILES for methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate is COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1.
What is the InChIKey of methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The InChIKey is QQTGBWKJNPSJKR-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H17N3O5/c1-30-23(29)15-5-4-6-16(11-15)25-22-18(21(28)26-20-7-2-3-10-24-20)12-14-8-9-17(27)13-19(14)31-22/h2-13,27H,1H3,(H,24,26,28)/b25-22-.
What are the key properties of methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate has a molecular weight of 415.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 135631486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).